In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2010 | 16 | Yes |
None
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.81 | 5.79 | -34.1 | 3 | 5 | 1 | 57 | 240.356 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.81 | 6.23 | -76.79 | 4 | 5 | 2 | 58 | 241.364 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.